SCHEMBL3022396

SCHEMBL3022396

CCOc1cc([C]=O)ccc1C(Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NQO1 P15559 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2119451 0.79 TRPV4 (0.45) TRPV4ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL3034398 0.76 CYP3A4 (0.31) MAPK1TSHRCYP3A4
SCHEMBL6899032 0.75 ALDH1A1 (0.56) TRPV4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6197396 0.75 MAPK1 (0.49) TRPV4KDM4EMAPK1MAPTL3MBTL1
SCHEMBL2702726 0.75 RORC (0.50) TRPV4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2702025 0.75 MAPT (0.54) TRPV4ALDH1A1KMT2AKDM4EMAPK1
SCHEMBL3022399 0.74 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL11314438 0.70 MAPT (0.55) TRPV4ALDH1A1KMT2AMAPK1MEN1
SCHEMBL6896899 0.70 TSHR (0.52) TRPV4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL22140277 0.69 TRPV4 (0.61) TRPV4ALDH1A1KMT2AKDM4EMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 — — EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 — — EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 — — EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 — — EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 — — EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TRPV4 1264/4885ALDH1A1 565/4885KMT2A 984/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TRPV4 2161/4885ALDH1A1 2295/4885KMT2A 688/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TRPV4 2348/4885ALDH1A1 1814/4885KMT2A 828/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 TRPV4 2032/4885ALDH1A1 265/4885KMT2A 1623/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TRPV4 1463/4885ALDH1A1 475/4885KMT2A 2349/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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